[3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol

C17H27N3O2 — CID 128981018

IUPAC[3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESCn1c(C2CCCN2CC2(CO)COC2)nc2c1CCCC2
InChIInChI=1S/C17H27N3O2/c1-19-14-6-3-2-5-13(14)18-16(19)15-7-4-8-20(15)9-17(10-21)11-22-12-17/h15,21H,2-12H2,1H3
InChIKeyDMHWTUQKDPOQPJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.44
Rot. Bonds4

About [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol

[3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol (PubChem CID 128981018) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol
PubChem CID128981018
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESCn1c(C2CCCN2CC2(CO)COC2)nc2c1CCCC2
InChIInChI=1S/C17H27N3O2/c1-19-14-6-3-2-5-13(14)18-16(19)15-7-4-8-20(15)9-17(10-21)11-22-12-17/h15,21H,2-12H2,1H3
InChIKeyDMHWTUQKDPOQPJ-UHFFFAOYSA-N
XLogP1.44
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol (CID 128981018) is [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol is Cn1c(C2CCCN2CC2(CO)COC2)nc2c1CCCC2.
What is the InChIKey of [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol?
The InChIKey is DMHWTUQKDPOQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19-14-6-3-2-5-13(14)18-16(19)15-7-4-8-20(15)9-17(10-21)11-22-12-17/h15,21H,2-12H2,1H3.
What are the key properties of [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol?
[3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol has a molecular weight of 305.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 128981018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).